SCHEMBL6800635

SCHEMBL6800635

O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPT P10636 3/20 0.58
ESR1 P03372 2/20 0.57
MTTP P55157 10/20 0.55
APOB P04114 9/20 0.55
CFTR P13569 1/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6664034 0.88 NPC1 (0.60) NPC1RAB9AMAPTESR1MTTP
SCHEMBL6804147 0.85 NPC1 (0.58) NPC1RAB9AMAPTCFTRLMNA
SCHEMBL6668194 0.83 MAOA (0.60) NPC1RAB9AMAPTMTTPAPOB
SCHEMBL22803968 0.79 ESR1 (0.62) NPC1RAB9AMAPTESR1
SCHEMBL31393757 0.78 CHRNB2 (0.71) NPC1RAB9AMTTPAPOBALDH1A1
SCHEMBL31070252 0.78 NPC1 (0.67) NPC1RAB9AMAPTCFTRLMNA
SCHEMBL6794747 0.78 PTGS1 (0.60) NPC1RAB9AMAPTMTTPAPOB
SCHEMBL30668348 0.77 ESR1 (0.53) NPC1RAB9AMAPTESR1
SCHEMBL17137021 0.77 ESR1 (0.53) NPC1RAB9AMAPTESR1
SCHEMBL6809512 0.77 DHPS (0.55) MTTPAPOBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 NPC1 40/4885RAB9A 4004/4885MAPT 4047/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.